Structure of PDB 1j1e Chain A Binding Site BS02

Receptor Information
>1j1e Chain A (length=158) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDDIYKAAVEQLTEEQKNEFKAAFDIFVLGAEDGSISTKELGKVMRMLGQ
NPTPEELQEMIDEVDEDGSGTVDFDEFLVMMVRSMKDDKSEEELSDLFRM
FDKNADGYIDLEELKIMLQATGETITEDDIEELMKDGDKNNDGRIDYDEF
LEFMKGVE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1j1e Chain A Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1j1e Structure of the core domain of human cardiac troponin in the Ca2+-saturated form
Resolution3.3 Å
Binding residue
(original residue number in PDB)		D105 N107 D109 Y111 D113 E116
Binding residue
(residue number reindexed from 1)		D102 N104 D106 Y108 D110 E113
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0031013 troponin I binding
GO:0031014 troponin T binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
GO:0048306 calcium-dependent protein binding
GO:0051015 actin filament binding
Biological Process
GO:0002086 diaphragm contraction
GO:0003009 skeletal muscle contraction
GO:0006937 regulation of muscle contraction
GO:0010038 response to metal ion
GO:0014883 transition between fast and slow fiber
GO:0032972 regulation of muscle filament sliding speed
GO:0043462 regulation of ATP-dependent activity
GO:0055010 ventricular cardiac muscle tissue morphogenesis
GO:0060048 cardiac muscle contraction
Cellular Component
GO:0005829 cytosol
GO:0005861 troponin complex
GO:0043292 contractile muscle fiber
GO:1990584 cardiac Troponin complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1j1e, PDBe:1j1e, PDBj:1j1e
PDBsum1j1e
PubMed12840750
UniProtP63316|TNNC1_HUMAN Troponin C, slow skeletal and cardiac muscles (Gene Name=TNNC1)

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